ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate

C14H23N3O3 — CID 83179837

IUPACethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(COC)C(C)C)nc1C
InChIInChI=1S/C14H23N3O3/c1-6-20-13(18)11-7-15-14(16-10(11)4)17-12(8-19-5)9(2)3/h7,9,12H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyNRQCGFQNTZLOLK-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.04
Rot. Bonds7

About ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate

ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate (PubChem CID 83179837) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
PubChem CID83179837
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Nameethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC(COC)C(C)C)nc1C
InChIInChI=1S/C14H23N3O3/c1-6-20-13(18)11-7-15-14(16-10(11)4)17-12(8-19-5)9(2)3/h7,9,12H,6,8H2,1-5H3,(H,15,16,17)
InChIKeyNRQCGFQNTZLOLK-UHFFFAOYSA-N
XLogP2.04
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-methyl-2-(3-methylpentan-2-ylamino)pyrimidine-5-carboxylate
CID 83179670
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
2-[(5-ethoxycarbonyl-4-methylpyrimidin-2-yl)amino]pent-4-enoic acid
CID 83179981
ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
CID 83178981
ethyl 2-(butan-2-ylcarbamothioylamino)-4-methylpyrimidine-5-carboxylate
CID 133203168
ethyl 2-[2-[2-methoxyethyl(methyl)amino]ethylamino]-4-methylpyrimidine-5-carboxylate
CID 83178869
ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate
CID 115967564
ethyl 2-(3,5-dichloroanilino)-4-methylpyrimidine-5-carboxylate
CID 17121379
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 2-[(1-hydroxy-2-methylpropan-2-yl)amino]-4-methylpyrimidine-5-carboxylate
CID 83178152

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate (CID 83179837) is ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC(COC)C(C)C)nc1C.
What is the InChIKey of ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate?
The InChIKey is NRQCGFQNTZLOLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-20-13(18)11-7-15-14(16-10(11)4)17-12(8-19-5)9(2)3/h7,9,12H,6,8H2,1-5H3,(H,15,16,17).
What are the key properties of ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate?
ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate has a molecular weight of 281.36 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(1-methoxy-3-methylbutan-2-yl)amino]-4-methylpyrimidine-5-carboxylate is sourced from PubChem (CID 83179837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).